| SpectraBase Spectrum ID |
7grOyaVstnx |
| Name |
Fumaric acid, 4-octyl cyclohexylmethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.230059506 u |
| Formula |
C19H32O4 |
| InChI |
InChI=1S/C19H32O4/c1-3-5-12-17(9-4-2)23-19(21)14-13-18(20)22-15-16-10-7-6-8-11-16/h13-14,16-17H,3-12,15H2,1-2H3/b14-13+ |
| InChIKey |
NPENSVNRKVAMOR-BUHFOSPRSA-N |
| Molecular Weight |
324.461 g/mol |
| SMILES |
C(\C=C\C(OCC1CCCCC1)=O)(OC(CCCC)CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976134 |
